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Information card for entry 8107608
Preview
| Coordinates | 8107608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N3 O9 |
|---|---|
| Calculated formula | C18 H17 N3 O9 |
| Title of publication | Synthesis and crystal structure of 1-(7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)-N,N-dimethylmethanaminiumnitrate, C18H17N3O9 |
| Authors of publication | Chen, Hai-Lin; Yao, Dong-Mei; Luo, Ze-Ping; Wang, Yan-Ping; Tang, Yu-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 949 - 951 |
| a | 15.3768 ± 0.0003 Å |
| b | 7.451 ± 0.0002 Å |
| c | 15.6673 ± 0.0005 Å |
| α | 90° |
| β | 102.7 ± 0.003° |
| γ | 90° |
| Cell volume | 1751.13 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286910 (current) | 2023-10-11 | cif/ Adding structures of 8107608 via cif-deposit CGI script. |
8107608.cif |
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Users of the data should acknowledge the original authors of the
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